7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C32H30N4O2 — CID 20534316

IUPAC7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCn1c(C)c(C2(N(c3ccccc3)c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C32H30N4O2/c1-5-35-22(2)29(26-14-9-10-16-28(26)35)32(30-27(31(37)38-32)15-11-21-33-30)36(24-12-7-6-8-13-24)25-19-17-23(18-20-25)34(3)4/h6-21H,5H2,1-4H3
InChIKeyBWZFQZRSZDABSW-UHFFFAOYSA-N
MW502.62 g/mol
LogP6.64
Rot. Bonds6

About 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 20534316) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID20534316
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCn1c(C)c(C2(N(c3ccccc3)c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c2ccccc21
InChIInChI=1S/C32H30N4O2/c1-5-35-22(2)29(26-14-9-10-16-28(26)35)32(30-27(31(37)38-32)15-11-21-33-30)36(24-12-7-6-8-13-24)25-19-17-23(18-20-25)34(3)4/h6-21H,5H2,1-4H3
InChIKeyBWZFQZRSZDABSW-UHFFFAOYSA-N
XLogP6.64
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 20534316) is 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCn1c(C)c(C2(N(c3ccccc3)c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c2ccccc21.
What is the InChIKey of 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is BWZFQZRSZDABSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-5-35-22(2)29(26-14-9-10-16-28(26)35)32(30-27(31(37)38-32)15-11-21-33-30)36(24-12-7-6-8-13-24)25-19-17-23(18-20-25)34(3)4/h6-21H,5H2,1-4H3.
What are the key properties of 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 502.62 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-[4-(dimethylamino)phenyl]anilino)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20534316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).